Chemical ID: 3965954

c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
Chemical ID:
3965954
Name [?]:
None
SMILES [?]:
c1cc(oc1)c2nc3c4cc(ccc4nc(n3n2)N)Cl
InChi [?]:
InChI=1/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,5,10,11,9,14,3,6,8,16,20,19,15,7,18,17,4/rA:20nCCCOCCNCCCCCCCNCNNNCl/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;s9;d10;s11;d12;d9s13;s14;d15;s8s16;d6s17;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8ClN5O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.09521
Area:458.842
Solvation:-2.37583
Coulombic:-43.5496
Bond Count [?]
All:23
Single:15
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:285.688
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.22
LogP (Chemaxon):3.14

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue